Information card for entry 4075823

Structure parameters

• Formula: C8 H16 B8 Fe
• Calculated formula: C8 H16 B8 Fe
• SMILES: [Fe]123456([CH]789[CH]%10%111[CH]1%122[BH]2%13[BH]9%14[BH]9%15%13[BH]%13%122[BH]2%101[BH]17%11[BH]89%14[BH]%15%1321)[cH]1[cH]3[cH]6[cH]4[cH]51
• Title of publication: Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11
• Authors of publication: Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4387
• a: 6.4722 ± 0.0015 Å
• b: 10.3 ± 0.002 Å
• c: 17.749 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1183.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No